0  B9R0.7  CC(C)=CC[C@H](N)C(=O)O BB32-0842 [0,0,0,0,0,0|2,0,1]=3
1  B9R0.7  C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,0,0,0,0,0|3,0,0]=3
2  B9R0.7  N=C(N)NCC(N)C(=O)O BB57-4807 [0,0,0,0,0,0|3,0,0]=3
3  B8R0.8  C=CCSC(C)C(=O)O BB12-3266 [1,0,0,0,0,0|3,0,0]=4
4  B8R0.8  CCCCC(N)C(C)=O BB54-3218 [1,0,0,0,0,0|2,0,1]=4
5  B8R0.8  CCCC[C@H](N)C(=O)O BB12-2277 [1,0,0,0,0,0|1,0,1]=3
6  B8R0.9  CCC(N)CCC(=O)O BB57-2163 [1,0,0,0,0,0|1,0,1]=3
7  B8R0.28  CN(C)CCCC(=O)O BB01-6266 [1,0,0,0,0,0|3,0,0]=4
8  B8R0.28  NC(=O)CCCC(=O)O BB12-2466 [1,0,0,0,0,0|1,0,0]=2
9  B8R0.28  NC(=O)COCC(=O)O BB12-2362 [1,0,0,0,0,0|2,0,0]=3
10  B10R0.43  CC(C)(CCC(=O)O)[N+](=O)[O-] BB12-1607 [0,1,0,0,0,0|2,0,1]=4
11  B10R0.82  NCC(O)CCC(N)C(=O)O BB57-4923 [0,1,0,0,0,0|1,0,1]=3
12  B10R0.92  CS(=N)(=O)CCC(N)C(=O)O BB55-4258 [0,1,0,0,0,0|2,0,0]=3
13  B10R0.92  CS(=O)(=O)CCC(N)C(=O)O BB57-6132 [0,1,0,0,0,0|1,0,1]=3
14  B10R1.13  O=C1CCC(C(=O)O)CN1 BB58-1718 [0,0,0,1,0,0|2,0,0]=3
15  B10R1.58  CN1CC(C(=O)O)CC1=O BB20-4886 [0,0,0,1,0,0|3,0,0]=4
16  B10R1.359  O=C(O)C1CCS(=O)(=O)C1 BB54-4344 [0,0,0,1,0,0|2,0,1]=4
17  B8R0.23  CC(C)[C@H](N)CC(=O)O BB01-8380 [0,0,0,0,1,0|2,0,1]=4
18  B8R0.23  CN(CC(=O)O)C(N)=O BB57-2505 [0,0,0,0,1,0|3,0,0]=4
19  B7R0.4  C=CCSCC(=O)O BB12-3265 [2,0,0,0,0,0|2,0,0]=4
20  B7R0.4  O=C(O)CNCCO BB58-1263 [2,0,0,0,0,0|1,0,1]=4
21  B7R0.5  CC(NC=O)C(=O)O BB12-1345 [2,0,0,0,0,0|2,0,0]=4
22  B9R0.8  COC(=O)C(N)CCCN BB57-6639 [1,1,0,0,0,0|1,0,1]=4
23  B9R0.1  COC(=O)CCC[N+](=O)[O-] BB54-1368 [1,1,0,0,0,0|1,0,1]=4
24  B9R0.53  CC(=O)NC(C)CC(=O)O BB57-3774 [1,1,0,0,0,0|2,0,0]=4
25  B9R0.57  NC(CS(=O)(=O)O)C(=O)O BB55-7479 [0,1,0,0,1,0|1,0,0]=3
26  B9R1.6  O=C(O)C1CCCOC1 BB54-3665 [1,0,0,1,0,0|1,0,1]=4
27  B9R1.6  O=C(O)C1CCSCN1 BB54-3501 [1,0,0,1,0,0|2,0,0]=4
28  B9R1.35  C=C1CCC(C(=O)O)C1 BB58-5288 [1,0,0,1,0,0|2,0,0]=4
29  B9R1.35  CC1=NC(C(=O)O)CC1 BB58-2824 [1,0,0,1,0,0|1,0,1]=4
30  B9R1.35  O=C1CC(C(=O)O)CN1 BB57-2160 [1,0,0,1,0,0|2,0,0]=4
31  B9R1.35  O=C1CC(C(=O)O)CS1 BB01-0509 [1,0,0,1,0,0|2,0,0]=4
32  B9R1.163  CC1(C(=O)O)CCCO1 BB12-1777 [1,0,0,1,0,0|1,0,1]=4
33  B9R1.163  NC1(C(=O)O)CCCC1 BB56-0255 [1,0,0,1,0,0|1,0,1]=4
34  B9R1.161  O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] BB58-3088 [1,0,0,1,0,0|1,0,1]=4
35  B11R1.90  O=C(O)CCC1CCOC1=O BB54-4909 [0,1,0,1,0,0|1,0,0]=3
36  B7R0.16  CC(C(=O)O)C(=O)O BB20-4558 [0,0,0,0,2,0|1,0,0]=3
37  B9R0.55  CC(=O)CCCOC(C)=O BB54-0058 [1,0,0,0,0,1|2,0,0]=4
38  B9R0.55  O=C(O)CNNCC(=O)O BB58-2136 [1,0,0,0,0,1|1,0,0]=3
39  B11R0.85  CN(CCC(=O)O)CCC(=O)O BB12-1493 [0,0,0,0,0,2|2,0,0]=4